(2E)-4,4-dimethyl-3-oxidanylidene-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]pentanenitrile Openeye Name: (2E)-2-[[4-[(E)-cinnamyl]piperazin-1-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methylidene]pentanenitrile IUPAC Name: (2E)-4,4-dimethyl-3-oxo-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]pentanenitrile Traditional Name: (E)-3-[4-[(E)-cinnamyl]piperazino]-2-pivaloyl-acrylonitrile Formula: C21H27N3O MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CN1CCN(CC1)CC=CC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/N1CCN(CC1)C/C=C/C2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H27N3O/c1-21(2,3)20(25)19(16-22)17-24-14-12-23(13-15-24)11-7-10-18-8-5-4-6-9-18/h4-10,17H,11-15H2,1-3H3/b10-7+,19-17+